4-Amino-3-methylbenzene-1-sulfonamide

C₇H₁₀N₂O₂SCAS 53297-70-4186.23 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide

Properties

Molecular formula: C₇H₁₀N₂O₂S
Molar mass: 186.23 g/mol
Exact mass: 186.0463 Da
Melting point: 174 °C
logP: 0.22Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53297-70-4

SMILES

Cc1cc(S(N)(=O)=O)ccc1N

InChIKey

IGQGXIVCGKMRAM-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H2,9,10,11)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

4-Amino-3-methylbenzenesulfonamide
Benzenesulfonamide, 4-amino-3-methyl-
2-Methyl-4-sulfamoylaniline

Work with 4-Amino-3-methylbenzene-1-sulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Amino-3-methylbenzenesulfonic acid98-33-962 % similar 2-Amino-5-(aminosulfonyl)benzoic acid137-65-555 % similar 2-Aminophenol-4-sulfonamide98-32-854 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-150 % similar P-Toluenesulfonamide70-55-350 % similar Tolidine119-93-748 % similar 2,5-Diaminotoluene sulfate615-50-947 % similar Sulfanilamide63-74-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile1187595-85-2 P-Toluenesulfonylhydrazide1576-35-8 Carbimazole22232-54-8 4,6-Dimethyl-2-methylsulfonylpyrimidine35144-22-0 Ethyl 2-amino-4-thiazoleacetate53266-94-7 3-Amino-4-methylbenzenesulfonamide6274-28-8 5-Amino-2-methylbenzenesulfonamide6973-09-7 Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-6

Elsewhere

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